SCHEMBL2239783

SCHEMBL2239783

CC(=O)Nc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 1.00
JAK3 P52333 5/20 1.00
JAK1 P23458 10/20 0.73
TYK2 P29597 5/20 0.71
IKBKB O14920 1/20 0.67
RIPK2 O43353 1/20 0.67
LCK P06239 1/20 0.67
SYK P43405 1/20 0.67
GSK3B P49841 1/20 0.67
PTK2B Q14289 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7971660 0.89 JAK2 (0.80) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2235228 0.89 JAK2 (0.82) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2239713 0.89 JAK2 (0.82) JAK2JAK3JAK1TYK2
SCHEMBL7963904 0.89 JAK1 (0.82) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2235843 0.87 TYK2 (0.81) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2237985 0.86 JAK2 (0.79) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2238463 0.85 JAK1 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL2237545 0.84 JAK1 (0.79) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2239758 0.84 JAK1 (0.80) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL13031281 0.84 JAK1 (1.00) JAK2JAK3JAK1TYK2IKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US claimed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US claimed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US claimed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US claimed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP claimed
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-8242274-B2 Triazolopyridine kinase inhibitors useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2012-08-14 US disclosed
US-8242274-B2 Triazolopyridine kinase inhibitors useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2012-08-14 US disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GILEAD SCIENCES, INC. 2010-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885JAK3 211/4885JAK1 100/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 JAK2 222/4885JAK3 277/4885JAK1 115/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885JAK3 211/4885JAK1 100/4885
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK2 154/4885JAK3 183/4885JAK1 83/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK2 174/4885JAK3 209/4885JAK1 84/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.